SCHEMBL237683

SCHEMBL237683

O=[C]CNC(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 2/20 0.54
HPGD P15428 3/20 0.53
NAAA Q02083 1/20 0.53
PRSS1 P07477 2/20 0.50
CTSG P08311 2/20 0.50
CTRB1 P17538 2/20 0.50
CMA1 P23946 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
EPHX2 P34913 1/20 0.50
HDAC3 O15379 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
IDO1 P14902 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7272796 0.87 GPR139 (0.60) GAALMNAPOLBNPC1RAB9A
SCHEMBL6538970 0.86 NR1H4 (0.51) GAALMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL7749756 0.85 TP53 (0.62) GAALMNAPOLBNPC1RAB9A
SCHEMBL407772 0.84 LMNA (0.46) GAALMNAPOLBNPC1RAB9A
SCHEMBL7272801 0.83 LMNA (0.62) GAALMNAPOLBNPC1RAB9A
SCHEMBL885016 0.82 CA12 (0.62) GAALMNAPOLBNPC1RAB9A
SCHEMBL3993028 0.82 LMNA (0.59) GAALMNAPOLBNPC1RAB9A
SCHEMBL2863808 0.82 GAA (0.61) GAALMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL28844088 0.82 GAA (0.61) GAALMNAPOLBNPC1RAB9A
SCHEMBL8374747 0.82 GFER (0.55) GAALMNANPC1RAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 151 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109369436-A A kind of amide replaces alpine yarrow herb ketoacid derivatives and preparation method and purposes 中国科学院新疆理化技术研究所 2019-02-22 CN claimed
US-8877891-B2 Method of producing a novel opioid peptide LIPKOWSKI ANDREJ (PL) 2014-11-04 US claimed
EP-2384334-B1 A METHOD OF PRODUCING A NOVEL OPIOID PEPTIDE ACTION FOR DEV OF RESARCH SP Z O O (PL) 2013-02-27 EP claimed
US-20120004180-A1 METHOD OF PRODUCING A NOVEL OPIOID PEPTIDE LIPKOWSKI ANDREJ (PL) 2012-01-05 US claimed
EP-2384334-A1 A METHOD OF PRODUCING A NOVEL OPIOID PEPTIDE Action For Development Of Resarch SP.Z.O.O. (PL) 2011-11-09 EP claimed
WO-2010077154-A1 A METHOD OF PRODUCING A NOVEL OPIOID PEPTIDE ACTION FOR DEVELOPMENT OF RESARCH SP.Z.O.O. (PL) 2010-07-08 WO claimed
EP-1939197-A1 8-ethinylxanthine derivatives as selective A2A receptor antagonists SCHWARZ PHARMA AG (DE) 2008-07-02 EP claimed
US-20040186061-A1 Novel derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG 2004-09-23 US claimed
US-6740305-B1 FEEDING PATIENT MEAL INCLUDING, AS BREATH TEST FOOD ADDITIVE SUBSTRATE, LINEAR ACYL AMINOACID PEPTIDOMIMETIC WITH RADIOACTIVE OR NON-RADIOACTIVELY LABELED CARBON ATOM, DETECTING LEVEL OF LABELED CARBON DIOXIDE IN BREATH SAMPLES XANTHUS LIFE SCIENES, INC. 2004-05-25 US claimed
EP-1254890-A1 Derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG (DE) 2002-11-06 EP claimed
EP-0998946-A1 Non-porphyrin compound for use as a diagnosticum and/or pharmaceutical K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2000-05-10 EP claimed
WO-2000009169-A1 NON-PORPHYRIN COMPOUND FOR USE AS A DIAGNOSTICUM AND/OR PHARMACEUTICAL K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2000-02-24 WO claimed
WO-1999058478-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 1999-11-18 WO claimed
EP-0957073-A1 Novel derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG (DE) 1999-11-17 EP claimed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP claimed
EP-0253882-A4 ACYLATED CYANAMIDE COMPOSITION. UNIV MINNESOTA (US) 1990-06-27 EP claimed
US-4870056-A DETERRENTS OF ALCOHOL ABUSE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1989-09-26 US claimed
EP-0253882-A1 ACYLATED CYANAMIDE COMPOSITION THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1988-01-27 EP claimed
WO-1987004348-A1 ACYLATED CYANAMIDE COMPOSITION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1987-07-30 WO claimed
US-4251628-A HYDROLYSIS OF OLIGOPEPTIDES FOR RADIOISOTOPE ASSAY VENTREX LABORATORIES, INC. 1981-02-17 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040186061-A1 Novel derivatives of 3,3-diphenylpropylamines ADRB3, ADRA1D, TNNC1 GAA 3071/4885LMNA 3143/4885POLB 2030/4885
US-20120004180-A1 METHOD OF PRODUCING A NOVEL OPIOID PEPTIDE OPRL1, OPRK1, OGFR GAA 3809/4885LMNA 4311/4885POLB 4579/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.